[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate

C8H12O2 — CID 98108160

IUPAC[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
SMILESO=CO[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H12O2/c9-5-10-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2/t6-,7-,8+/m1/s1
InChIKeySGXIEZNAOCVSKO-PRJMDXOYSA-N
MW140.18 g/mol
LogP1.35
Rot. Bonds2

About [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate

[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate (PubChem CID 98108160) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate.

Molecular Properties

Compound Name[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
PubChem CID98108160
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate
SMILESO=CO[C@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C8H12O2/c9-5-10-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2/t6-,7-,8+/m1/s1
InChIKeySGXIEZNAOCVSKO-PRJMDXOYSA-N
XLogP1.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyloxy)bicyclo[2.2.1]heptane
CID 22404545
4-(2-bicyclo[2.2.1]heptanyloxy)butanal
CID 54143270
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate
CID 126747382
2-bicyclo[2.2.1]heptanyl nitrate
CID 12594107
(1S,2S,4R)-2-prop-2-enoxybicyclo[2.2.1]heptane
CID 102261355
N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-N-methylmethanamine
CID 99908285
N-(2-bicyclo[2.2.1]heptanyloxy)-N-methylmethanamine
CID 76852044
bis(2-bicyclo[2.2.1]heptanyl) ethane-1,2-disulfonate
CID 89483111
CID 154594551
CID 154594551
2-bicyclo[2.2.1]heptanyl adamantane-1-carboxylate
CID 150221469
2-bicyclo[2.2.1]heptanyl 2-(trifluoromethyl)prop-2-enoate
CID 20768646
2-but-3-en-2-yloxybicyclo[2.2.1]heptane
CID 70152975

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate?
The IUPAC name of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate (CID 98108160) is [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate.
What is the SMILES notation for [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate?
The canonical SMILES for [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate is O=CO[C@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate?
The InChIKey is SGXIEZNAOCVSKO-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-5-10-8-4-6-1-2-7(8)3-6/h5-8H,1-4H2/t6-,7-,8+/m1/s1.
What are the key properties of [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate?
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate has a molecular weight of 140.18 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl] formate is sourced from PubChem (CID 98108160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).